3-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one CAS Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-2-propen-1-one IUPAC Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylprop-2-en-1-one Traditional Name: 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-mercapto-prop-2-en-1-one Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(N)S)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(N)S)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19N3O3S/c1-20(2)13-5-7-21(8-6-13)16(18(19)25)17(22)12-3-4-14-15(11-12)24-10-9-23-14/h3-8,11H,9-10H2,1-2H3,(H2-,19,22,25)/p+1